CID 76404

2,2'-((4-((2-chloro-4-nitrophenyl)azo)phenyl)imino)bisethanol

Structural Information

Molecular Formula
C16H17ClN4O4
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCO)CCO
InChI
InChI=1S/C16H17ClN4O4/c17-15-11-14(21(24)25)5-6-16(15)19-18-12-1-3-13(4-2-12)20(7-9-22)8-10-23/h1-6,11,22-23H,7-10H2
InChIKey
JIPUSMUWJRCMRR-UHFFFAOYSA-N
Compound name
2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

364.09384 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10112 181.9
[M+Na]+ 387.08306 186.4
[M-H]- 363.08656 189.4
[M+NH4]+ 382.12766 193.6
[M+K]+ 403.05700 179.0
[M+H-H2O]+ 347.09110 177.8
[M+HCOO]- 409.09204 205.9
[M+CH3COO]- 423.10769 217.2
[M+Na-2H]- 385.06851 187.9
[M]+ 364.09329 184.9
[M]- 364.09439 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe